[4-(8-methoxyquinolin-1-ium-4-yl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanediolate

Systemtic Name: [4-(8-methoxyquinolin-1-ium-4-yl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanediolate Openeye Name: [4-(8-methoxyquinolin-1-ium-4-yl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanediolate CAS Name: [4-[(8-methoxy-4-quinolin-1-iumyl)sulfonylimino]-1-cyclohexa-2,5-dienylidene]methanediolate IUPAC Name: [4-(8-methoxyquinolin-1-ium-4-yl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanediolate Traditional Name: [4-(8-methoxyquinolin-1-ium-4-yl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanediolate Formula: C17H13N2O5S- MolecularWeight: 357.36052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C(C=C[NH+]=C21)S(=O)(=O)N=C3C=CC(=C([O-])[O-])C=C3

Isomeric SMILES

COC1=CC=CC2=C(C=C[NH+]=C21)S(=O)(=O)N=C3C=CC(=C([O-])[O-])C=C3

InChI

InChI=1S/C17H14N2O5S/c1-24-14-4-2-3-13-15(9-10-18-16(13)14)25(22,23)19-12-7-5-11(6-8-12)17(20)21/h2-10,20-21H,1H3/p-1